2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol

C17H31NO — CID 68802245

IUPAC2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol
SMILESOC1(C2CCCC2)CCCC1CN1CCCCCC1
InChIInChI=1S/C17H31NO/c19-17(15-8-3-4-9-15)11-7-10-16(17)14-18-12-5-1-2-6-13-18/h15-16,19H,1-14H2
InChIKeyKACQUWLPOPHWAN-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.58
Rot. Bonds3

About 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol

2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol (PubChem CID 68802245) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol
PubChem CID68802245
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol
SMILESOC1(C2CCCC2)CCCC1CN1CCCCCC1
InChIInChI=1S/C17H31NO/c19-17(15-8-3-4-9-15)11-7-10-16(17)14-18-12-5-1-2-6-13-18/h15-16,19H,1-14H2
InChIKeyKACQUWLPOPHWAN-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol?
The IUPAC name of 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol (CID 68802245) is 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol?
The canonical SMILES for 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol is OC1(C2CCCC2)CCCC1CN1CCCCCC1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol?
The InChIKey is KACQUWLPOPHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c19-17(15-8-3-4-9-15)11-7-10-16(17)14-18-12-5-1-2-6-13-18/h15-16,19H,1-14H2.
What are the key properties of 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol?
2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-1-cyclopentylcyclopentan-1-ol is sourced from PubChem (CID 68802245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).